Methanone,(1-methyl-1H-pyrrol-2-yl)phenyl- supplier

Name
(1-methyl-1H-pyrrol-2-yl)(phenyl)methanone
EINECS
CAS No. 37496-06-3
Article Data17
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO
Boiling Point 312.2 °C at 760 mmHg
Molecular Weight 185.225
Flash Point 142.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1-Methyl-1H-pyrrol-2-yl)phenylmethanone;2-Benzoyl-1-methylpyrrole;Phenyl 1-methyl-2-pyrrolyl ketone;
PSA
LogP

Methanone,(1-methyl-1H-pyrrol-2-yl)phenyl- Specification

The Methanone,(1-methyl-1H-pyrrol-2-yl)phenyl- is an organic compound with the formula C₁₂H₁₁NO. With the CAS registry number 37496-06-3, the IUPAC name of this chemical is (1-methylpyrrol-2-yl)-phenylmethanone.

Physical properties about Methanone,(1-methyl-1H-pyrrol-2-yl)phenyl- are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.33; (5)ACD/BCF (pH 7.4): 26.33; (6)ACD/KOC (pH 5.5): 361.75; (7)ACD/KOC (pH 7.4): 361.75; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 22 Å²; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 57.37 cm³; (13)Molar Volume: 175.9 cm³; (14)Polarizability: 22.74×10^-24cm³; (15)Surface Tension: 39.2 dyne/cm; (16)Density: 1.05 g/cm³; (17)Flash Point: 142.6 °C; (18)Enthalpy of Vaporization: 55.32 kJ/mol; (19)Boiling Point: 312.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000536 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)c2cccn2C
(2)InChI: InChI=1/C12H11NO/c1-13-9-5-8-11(13)12(14)10-6-3-2-4-7-10/h2-9H,1H3
(3)InChIKey: YLDDGZQCRPTKIH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H11NO/c1-13-9-5-8-11(13)12(14)10-6-3-2-4-7-10/h2-9H,1H3
(5)Std. InChIKey: YLDDGZQCRPTKIH-UHFFFAOYSA-N

Product Name

(1-methyl-1H-pyrrol-2-yl)(phenyl)methanone

Methanone,(1-methyl-1H-pyrrol-2-yl)phenyl- Specification

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